Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P30520

UPID:
PURA2_HUMAN

ALTERNATIVE NAMES:
Adenylosuccinate synthetase, acidic isozyme; Adenylosuccinate synthetase, liver isozyme; IMP--aspartate ligase 2

ALTERNATIVE UPACC:
P30520; B1AQM5; Q96EG7

BACKGROUND:
The enzyme Adenylosuccinate synthetase isozyme 2, also referred to as Adenylosuccinate synthetase, liver isozyme, is essential in the biosynthesis of AMP from IMP. This enzyme is integral to both the de novo and salvage pathways of purine nucleotide biosynthesis, indicating its vital role in cellular metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Adenylosuccinate synthetase isozyme 2 holds promise for uncovering new therapeutic avenues. Given its central role in purine metabolism, targeting this enzyme could lead to breakthroughs in treating diseases related to purine biosynthesis abnormalities.

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